Electronic structures of defective boron nitride nanotubes under transverse electric fields

Shuanglin Hu, Zhenyu Li, X. C. Zeng, Jinlong Yang

Research output: Contribution to journalArticle

31 Scopus citations

Abstract

We investigate the electronic structures of some defective boron nitride nanotubes (BNNTs) under transverse electric fields within density-functional theory. (16,0) BNNTs with antisite, carbon substitution, single vacancy, and Stone-Wales 5775 defects are studied. Under transverse electric fields, the band gaps of the defective BNNTs are reduced, similar to the pristine ones. The energy levels of the defect states vary with the transverse electric field directions, due to the different electrostatic potential shift at the defect sites induced by the electric fields. Therefore, besides electronic structure and optical property engineering, the transverse electric field can be used to identify the defect positions in BNNTs.

Original languageEnglish (US)
Pages (from-to)8424-8428
Number of pages5
JournalJournal of Physical Chemistry C
Volume112
Issue number22
DOIs
StatePublished - Jun 5 2008

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Energy(all)
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films

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